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isobutyric acid, isopentyl ester
SpectraBase Compound ID JXIcOT8DSP9
InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8us5b3Xppxp
Name Isopentyl 2-methylpropanoate
CAS Registry Number 2050-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CC(C(=O)OCCC(C)C)C
SPLASH splash10-006x-9000000000-62b0969f7f4bb821312c
Source of Spectrum NW-2001-0-0
Synonyms Propanoic acid, 2-methyl-, 3-methylbutyl ester 2-Methylpropanoic acid 3-methylbutyl ester 2-Methylpropionic acid isoamyl ester 3-Methylbutyl 2-methylpropanoate iso-Amyl iso-butyrate Isobutyric acid, isopentyl ester Isopentyl isobutanoate
Wiley ID 561339